ethyl 4-[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]prolyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C22H29N5O3S/c1-3-30-22(29)26-13-11-25(12-14-26)20(28)18-5-4-10-27(18)21-23-19(24-31-21)15-17-8-6-16(2)7-9-17/h6-9,18H,3-5,10-15H2,1-2H3